4-bromanyl-2-methoxy-5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenol

Systemtic Name: 4-bromanyl-2-methoxy-5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenol Openeye Name: 4-bromo-2-methoxy-5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]phenol CAS Name: 4-bromo-2-methoxy-5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenol IUPAC Name: 4-bromo-2-methoxy-5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)ethenyl]phenol Traditional Name: 4-bromo-2-methoxy-5-[(E)-2-(5-nitro-1,3-benzothiazol-2-yl)vinyl]phenol Formula: C16H11BrN2O4S MolecularWeight: 407.23854

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)Br)C=CC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

COC1=C(C=C(C(=C1)Br)/C=C/C2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C16H11BrN2O4S/c1-23-14-8-11(17)9(6-13(14)20)2-5-16-18-12-7-10(19(21)22)3-4-15(12)24-16/h2-8,20H,1H3/b5-2+